2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C17H22N2 — CID 152768012

IUPAC2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESc1ccc2c(C3CCN4CCCCC4C3)c[nH]c2c1
InChIInChI=1S/C17H22N2/c1-2-7-17-15(6-1)16(12-18-17)13-8-10-19-9-4-3-5-14(19)11-13/h1-2,6-7,12-14,18H,3-5,8-11H2
InChIKeyJFBYLQDKMVAKHH-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.90
Rot. Bonds1

About 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 152768012) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID152768012
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESc1ccc2c(C3CCN4CCCCC4C3)c[nH]c2c1
InChIInChI=1S/C17H22N2/c1-2-7-17-15(6-1)16(12-18-17)13-8-10-19-9-4-3-5-14(19)11-13/h1-2,6-7,12-14,18H,3-5,8-11H2
InChIKeyJFBYLQDKMVAKHH-UHFFFAOYSA-N
XLogP3.90
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine with MolForge

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Related Compounds

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[2,3-c]pyridine
CID 10131003
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
3-(3-bromocyclopentyl)-1H-indole
CID 130527678
3-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1H-indole
CID 56574161
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole
CID 25165253
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
CID 10333844
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane
CID 90983574
1-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-indol-5-yl]-1,3-diphenylurea
CID 67669036

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 152768012) is 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is c1ccc2c(C3CCN4CCCCC4C3)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is JFBYLQDKMVAKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-7-17-15(6-1)16(12-18-17)13-8-10-19-9-4-3-5-14(19)11-13/h1-2,6-7,12-14,18H,3-5,8-11H2.
What are the key properties of 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 254.38 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 152768012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).